1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethyl-N-propylbenzimidazol-2-amine

C25H24Cl2FN3 — CID 153290723

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethyl-N-propylbenzimidazol-2-amine
SMILESCCCNc1nc2c(-c3ccccc3Cl)c(C)c(C)cc2n1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C25H24Cl2FN3/c1-4-11-29-25-30-24-22(31(25)14-17-9-10-21(28)20(27)13-17)12-15(2)16(3)23(24)18-7-5-6-8-19(18)26/h5-10,12-13H,4,11,14H2,1-3H3,(H,29,30)
InChIKeyRXHYYSJEKNYKSH-UHFFFAOYSA-N
MW456.39 g/mol
LogP7.64
Rot. Bonds6

About 1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethyl-N-propylbenzimidazol-2-amine

1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethyl-N-propylbenzimidazol-2-amine (PubChem CID 153290723) has the molecular formula C25H24Cl2FN3 and a molecular weight of 456.39 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethyl-N-propylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethyl-N-propylbenzimidazol-2-amine
PubChem CID153290723
Molecular FormulaC25H24Cl2FN3
Molecular Weight456.39 g/mol
Exact Mass455.13
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethyl-N-propylbenzimidazol-2-amine
SMILESCCCNc1nc2c(-c3ccccc3Cl)c(C)c(C)cc2n1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C25H24Cl2FN3/c1-4-11-29-25-30-24-22(31(25)14-17-9-10-21(28)20(27)13-17)12-15(2)16(3)23(24)18-7-5-6-8-19(18)26/h5-10,12-13H,4,11,14H2,1-3H3,(H,29,30)
InChIKeyRXHYYSJEKNYKSH-UHFFFAOYSA-N
XLogP7.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.39
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile
CID 11572962
1-(3,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole
CID 2949939
1-(4-chlorobenzyl)-5,6-dimethyl-1H-benzimidazole
CID 683409
1-(3,4-Dichlorobenzyl)-7-Phenyl-1h-Benzimidazol-2-Amine
CID 42627579
6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole
CID 134814238
6-chloro-4-(2-chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
CID 134814239
6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
CID 134814241
4-(2-Chlorophenyl)-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 2998780
6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
CID 134814240
1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1H-benzimidazole
CID 134814242
1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1H-benzimidazol-2-amine
CID 134814243
1H-Benzimidazole, 2-(2-chlorophenyl)-1-[(2-chlorophenyl)methyl]-
CID 3596016

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethyl-N-propylbenzimidazol-2-amine?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethyl-N-propylbenzimidazol-2-amine (CID 153290723) is 1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethyl-N-propylbenzimidazol-2-amine.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethyl-N-propylbenzimidazol-2-amine?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethyl-N-propylbenzimidazol-2-amine is CCCNc1nc2c(-c3ccccc3Cl)c(C)c(C)cc2n1Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethyl-N-propylbenzimidazol-2-amine?
The InChIKey is RXHYYSJEKNYKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2FN3/c1-4-11-29-25-30-24-22(31(25)14-17-9-10-21(28)20(27)13-17)12-15(2)16(3)23(24)18-7-5-6-8-19(18)26/h5-10,12-13H,4,11,14H2,1-3H3,(H,29,30).
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethyl-N-propylbenzimidazol-2-amine?
1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethyl-N-propylbenzimidazol-2-amine has a molecular weight of 456.39 g/mol, XLogP of 7.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)-5,6-dimethyl-N-propylbenzimidazol-2-amine is sourced from PubChem (CID 153290723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).